N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide

C17H18N2O3S — CID 2970640

IUPACN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide
SMILESCc1sc(NC(=O)C2CCCO2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-10-13(11-6-3-2-4-7-11)14(15(18)20)17(23-10)19-16(21)12-8-5-9-22-12/h2-4,6-7,12H,5,8-9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyJSVVSUGPYWOVNG-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.94
Rot. Bonds4

About N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide

N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide (PubChem CID 2970640) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide
PubChem CID2970640
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide
SMILESCc1sc(NC(=O)C2CCCO2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-10-13(11-6-3-2-4-7-11)14(15(18)20)17(23-10)19-16(21)12-8-5-9-22-12/h2-4,6-7,12H,5,8-9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyJSVVSUGPYWOVNG-UHFFFAOYSA-N
XLogP2.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-carbamoyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]oxolane-2-carboxamide
CID 17173891
trans-(1S,2S)-2-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 995599
methyl 4-(4-bromophenyl)-5-methyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
CID 45154360
methyl 4-(3-chlorophenyl)-5-methyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
CID 45154361
2-[[(1S,2S)-2-cyclobutylcyclopropanecarbonyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 99814194
(1R,6R)-6-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1312305
4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid
CID 28858400
cis-(1R,2S)-2-[[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27522314
ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate
CID 1221817
4,5-dimethyl-2-(oxane-2-carbonylamino)thiophene-3-carboxylic acid
CID 55047609
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245726
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55571557

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide (CID 2970640) is N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide is Cc1sc(NC(=O)C2CCCO2)c(C(N)=O)c1-c1ccccc1.
What is the InChIKey of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide?
The InChIKey is JSVVSUGPYWOVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-13(11-6-3-2-4-7-11)14(15(18)20)17(23-10)19-16(21)12-8-5-9-22-12/h2-4,6-7,12H,5,8-9H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide?
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2970640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).